ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate

C15H14N2O4 — CID 65019269

IUPACethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2ccnc(C(N)=O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-2-20-15(19)10-3-5-11(6-4-10)21-12-7-8-17-13(9-12)14(16)18/h3-9H,2H2,1H3,(H2,16,18)
InChIKeyBQGXGEBLGPFJGS-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.15
Rot. Bonds5

About ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate

ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate (PubChem CID 65019269) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
PubChem CID65019269
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Nameethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2ccnc(C(N)=O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-2-20-15(19)10-3-5-11(6-4-10)21-12-7-8-17-13(9-12)14(16)18/h3-9H,2H2,1H3,(H2,16,18)
InChIKeyBQGXGEBLGPFJGS-UHFFFAOYSA-N
XLogP2.15
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate
CID 142886643
4-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxamide
CID 107709658
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
CID 106502994
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
ethyl 3-[[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamothioylamino]benzoate
CID 46843010
ethyl 4-[3-(trifluoromethyl)phenoxy]benzoate
CID 4268945
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
ethyl 4-[4-(2-ethoxy-2-oxoethyl)phenoxy]benzoate
CID 132581911
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
[amino-(4-ethoxycarbonylphenyl)methylidene]azanium chloride
CID 67790291
4-[(2R)-1-fluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204612

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate?
The IUPAC name of ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate (CID 65019269) is ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate.
What is the SMILES notation for ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate?
The canonical SMILES for ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate is CCOC(=O)c1ccc(Oc2ccnc(C(N)=O)c2)cc1.
What is the InChIKey of ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate?
The InChIKey is BQGXGEBLGPFJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-20-15(19)10-3-5-11(6-4-10)21-12-7-8-17-13(9-12)14(16)18/h3-9H,2H2,1H3,(H2,16,18).
What are the key properties of ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate?
ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate has a molecular weight of 286.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate is sourced from PubChem (CID 65019269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).